SCHEMBL14470746

SCHEMBL14470746

CBc1ccc(C(=O)Cn2c(=N)n(C)c3c(C(C)C)cccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.56
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ BRSK1 Q8TDC3 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14373327 0.88 RAB9A (0.64) CXCR3RAB9ANPC1KMT2AMEN1
SCHEMBL14373328 0.87 CXCR3 (0.69) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373329 0.87 CXCR3 (0.75) CXCR3RAB9ANPC1KMT2ACLK2
SCHEMBL14470554 0.82 CXCR3 (0.77) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470749 0.79 CXCR3 (0.53) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470531 0.76 BRSK1 (0.63) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373331 0.75 CXCR3 (0.58) CXCR3RAB9ANPC1KMT2ACLK2
SCHEMBL14373299 0.72 CXCR3 (0.75) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373284 0.72 CXCR3 (0.80) CXCR3RAB9ANPC1KMT2AMEN1
SCHEMBL14470564 0.71 CXCR3 (0.78) CXCR3RAB9ANPC1KMT2ABRSK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed
Send feedback